Crystal Lab › Prototype structures › Monoclinic
α-SnF₂ F₂Sn
Monoclinic · space group C12/c1 (No. 15) · Pearson mC48
Symmetry elements and Wyckoff positions (interactive)
α-SnF₂ in C12/c1
SettingUnit cell
- Lattice constants
- a = 13.353 Å, b = 4.909 Å, c = 22.112 Å; α = 90.00°, β = 143.90°, γ = 90.00°
- Cell volume
- 853.9 ų
- Atoms in the conventional cell
- 48 (F 32, Sn 16)
- Formula units Z
- 16
- Pearson symbol
- mC48 — monoclinic, base-centred lattice, 48 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| F1 | F | 8f | 8 | 0.3183 | 0.9876 | 0.3077 |
| F2 | F | 8f | 8 | 0.3139 | 0.9695 | 0.1787 |
| F3 | F | 8f | 8 | 0.9655 | 0.0891 | 0.0406 |
| F4 | F | 8f | 8 | 0.6374 | 0.0759 | 0.4157 |
| Sn5 | Sn | 8f | 8 | 0.1798 | 0.2400 | 0.0574 |
| Sn6 | Sn | 8f | 8 | 0.0550 | 0.2325 | 0.1867 |
The multiplicity and the Wyckoff letter say how many copies of the site the group makes in one cell and on which kind of symmetry element the site sits; the 48 atoms drawn above are these sites multiplied by all 8 operations. Press Wyckoff under Colour to see the sites, and tick a symmetry element on the left to see which atoms lie on it.
How to read the label
A2B_mC48_15_4f_2f-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mC48, then the space-group number 15, then the Wyckoff letters occupied by each element in turn (F: 8f; F: 8f; F: 8f; F: 8f; Sn: 8f; Sn: 8f). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Note: α-SnF₂.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B_mC48_15_4f_2f-001 (M. J. Mehl et al., Comput. Mater. Sci. 136, S1 (2017); D. Hicks et al., ibid. 161, S1 (2019) and 199, 110450 (2021); S. Eckert et al., ibid. 240, 112988 (2024)). Symmetry elements, Wyckoff assignment and the diagram are computed on this page from the group operations.
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